(2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H21NO2S — CID 39612398

IUPAC(2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(N[C@@H](c1cccs1)C1CCCC1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C19H21NO2S/c21-19(16-12-14-8-3-4-9-15(14)22-16)20-18(13-6-1-2-7-13)17-10-5-11-23-17/h3-5,8-11,13,16,18H,1-2,6-7,12H2,(H,20,21)/t16-,18+/m0/s1
InChIKeyPRIQLJHURKCEMY-FUHWJXTLSA-N
MW327.45 g/mol
LogP4.10
Rot. Bonds4

About (2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 39612398) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID39612398
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(N[C@@H](c1cccs1)C1CCCC1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C19H21NO2S/c21-19(16-12-14-8-3-4-9-15(14)22-16)20-18(13-6-1-2-7-13)17-10-5-11-23-17/h3-5,8-11,13,16,18H,1-2,6-7,12H2,(H,20,21)/t16-,18+/m0/s1
InChIKeyPRIQLJHURKCEMY-FUHWJXTLSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37006047
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51296393
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
(2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39987122
N-[cyclopentyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 43697912
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515
2-(tert-butylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 78987130
1-oxo-N-(1-thiophen-2-ylethyl)-3,4-dihydroisochromene-3-carboxamide
CID 5262609

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 39612398) is (2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(N[C@@H](c1cccs1)C1CCCC1)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is PRIQLJHURKCEMY-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H21NO2S/c21-19(16-12-14-8-3-4-9-15(14)22-16)20-18(13-6-1-2-7-13)17-10-5-11-23-17/h3-5,8-11,13,16,18H,1-2,6-7,12H2,(H,20,21)/t16-,18+/m0/s1.
What are the key properties of (2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39612398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).